Vitas-M small molecule compound
4,5,6-triethoxy-7-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Catalog ID
STK665932
SMILES CCOc1c(CSc2nnc(n2c2ccccc2)c2ccccc2OC)c2C(=O)OCc2c(c1OCC)OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H31N3O6S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6S/c1-5-36-25-21-17-39-29(34)24(21)22(26(37-6-2)27(25)38-7-3)18-40-30-32-31-28(20-15-11-12-16-23(20)35-4)33(30)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3InChIKey
NNHKWZLSUGFLQR-UHFFFAOYSA-NSynonyms
456triethoxy7(((5(2methoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)methyl)2benzofuran1(3H)one
456triethoxy7((5(2methoxyphenyl)4phenyl124triazol3yl)sulfanylmethyl)3H2benzofuran1one
CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5OC)OCC)OCC
InChI=1SC30H31N3O6Sc15362521173929(34)24(21)22(26(3762)27(25)3873)184030323128(201511121623(20)354)33(30)191398101419h816H571718H214H3
MFCD12034105
ZINC000100241422
ZINC100241422
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